7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C13H18N4O — CID 79092401

IUPAC7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1ccc(N)cc1N1CCN2C(=O)NCC2C1
InChIInChI=1S/C13H18N4O/c1-9-2-3-10(14)6-12(9)16-4-5-17-11(8-16)7-15-13(17)18/h2-3,6,11H,4-5,7-8,14H2,1H3,(H,15,18)
InChIKeyHVEUXAAUDJYYDH-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.79
Rot. Bonds1

About 7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79092401) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79092401
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCc1ccc(N)cc1N1CCN2C(=O)NCC2C1
InChIInChI=1S/C13H18N4O/c1-9-2-3-10(14)6-12(9)16-4-5-17-11(8-16)7-15-13(17)18/h2-3,6,11H,4-5,7-8,14H2,1H3,(H,15,18)
InChIKeyHVEUXAAUDJYYDH-UHFFFAOYSA-N
XLogP0.79
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79092401) is 7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Cc1ccc(N)cc1N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is HVEUXAAUDJYYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-2-3-10(14)6-12(9)16-4-5-17-11(8-16)7-15-13(17)18/h2-3,6,11H,4-5,7-8,14H2,1H3,(H,15,18).
What are the key properties of 7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 246.31 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79092401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).